SCHEMBL20204922

SCHEMBL20204922

Nc1nc(Nc2cnn(CCO)c2)ncc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.56
JAK1 P23458 12/20 0.56
JAK3 P52333 10/20 0.56
KDR P35968 1/20 0.54
AURKB Q96GD4 1/20 0.54
FLT4 P35916 1/20 0.52
TYK2 P29597 3/20 0.49
TTK P33981 1/20 0.49
HDAC3 O15379 4/20 0.47
HDAC4 P56524 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29566182 0.81 JAK2 (0.54) JAK2JAK1JAK3KDRAURKB
SCHEMBL18665541 0.80 CDK19 (0.62) JAK2JAK1JAK3KDRAURKB
SCHEMBL15546922 0.77 JAK2 (0.77) JAK2JAK1JAK3KDRAURKB
SCHEMBL16782470 0.76 JAK2 (0.70) JAK2JAK1JAK3TYK2TTK
SCHEMBL20204910 0.76 JAK2 (0.72) JAK2JAK1JAK3TYK2TTK
SCHEMBL22097897 0.76 JAK2 (0.52) JAK2JAK1JAK3KDRAURKB
SCHEMBL31557691 0.76 JAK2 (0.52) JAK2JAK1JAK3KDRAURKB
SCHEMBL16782551 0.76 JAK3 (0.67) JAK2JAK1JAK3KDRAURKB
SCHEMBL673183 0.75 JAK3 (0.47) JAK2JAK1JAK3KDRAURKB
SCHEMBL22288307 0.75 FGFR1 (0.52) JAK2JAK1JAK3KDRAURKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 US disclosed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 US disclosed
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 JAK2 4046/4885JAK1 4784/4885JAK3 4626/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 JAK2 4046/4885JAK1 4784/4885JAK3 4626/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 JAK2 4046/4885JAK1 4784/4885JAK3 4626/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 JAK2 4046/4885JAK1 4784/4885JAK3 4626/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.